Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1(CN2CCC2)CCNc2ccc(Cl)cc21 |
MW: | 406.16 |
Fraction sp3: | 0.3 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 57.26 |
cLogP: | 4.29 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-ecdbc7dd-8
0.953
DAR-DIA-ecdbc7dd-14
0.940
DAR-DIA-ecdbc7dd-12
0.932
DAR-DIA-ecdbc7dd-7
0.879
DAR-DIA-ecdbc7dd-10
0.859
DAR-DIA-ecdbc7dd-19
0.859
DAR-DIA-ecdbc7dd-15
0.728
DAR-DIA-ecdbc7dd-17
0.694
DAR-DIA-ecdbc7dd-6
0.689
DAR-DIA-ecdbc7dd-4
0.657
DAR-DIA-ecdbc7dd-3
0.627
DAR-DIA-ecdbc7dd-13
0.620
DAR-DIA-ecdbc7dd-11
0.615
DAR-DIA-ecdbc7dd-2
0.589
MIC-UNK-ea4eb352-3
0.574
MAT-POS-d8472c4f-3
0.574
DAR-DIA-ecdbc7dd-18
0.574
DAR-DIA-ecdbc7dd-5
0.570
EDJ-MED-2f867453-1
0.545
EDJ-MED-15e90dfc-2
0.522
MAT-POS-9db1e783-2
0.505
EDG-MED-971238d3-2
0.505
EDG-MED-90036822-61
0.500
EDJ-MED-fcba3f31-7
0.500
EDG-MED-971238d3-5
0.500
MAT-POS-2bb0cf2b-1
0.500
MAT-POS-e6dd326d-1
0.500
MAT-POS-45b13633-1
0.500
DAR-DIA-ecdbc7dd-16
0.496
MAT-POS-e6dd326d-12
0.495
RAL-THA-e002e396-11
0.495
MAT-POS-e6dd326d-2
0.495
MAT-POS-45b13633-2
0.495
MAT-POS-c7771779-1
0.495
MAT-POS-e6dd326d-9
0.491
MAT-POS-45b13633-4
0.491
EDG-MED-971238d3-9
0.491
JAG-UCB-706446eb-3
0.491
EDG-MED-971238d3-3
0.491
EDG-MED-971238d3-6
0.491
RAL-THA-58fba2bc-3
0.491
RAL-THA-58fba2bc-1
0.491
EDG-MED-971238d3-10
0.491
EDJ-MED-424a8a89-2
0.486
MAT-POS-45b13633-3
0.486
MAT-POS-e6dd326d-3
0.486
ALP-POS-1cbc2fae-2
0.486
EDJ-MED-fcba3f31-1
0.484
JAG-UCB-706446eb-6
0.483
MAT-POS-e6dd326d-8
0.482
RAL-THA-e002e396-12
0.482
RAL-THA-e002e396-2
0.482
RAL-THA-e002e396-1
0.482
MAT-POS-22e8b45a-3
0.481
RAL-THA-176e263b-1
0.481
MAT-POS-9db1e783-1
0.481
EDG-MED-971238d3-1
0.481
EDJ-MED-9e38fd34-2
0.480
EDJ-MED-9e38fd34-1
0.480
EDJ-MED-9e38fd34-3
0.480
RAL-THA-e002e396-10
0.479
EDJ-MED-f893e2a1-3
0.478
MAT-POS-e6dd326d-6
0.478
EDJ-MED-f893e2a1-8
0.477
MAT-POS-f9802937-6
0.477
MAT-POS-5d65ec79-2
0.477
RAL-THA-e002e396-6
0.477
EDG-MED-971238d3-8
0.477
MAT-POS-e6dd326d-4
0.477
EDG-MED-971238d3-7
0.477
MAT-POS-f9802937-5
0.477
RAL-THA-e002e396-4
0.475
EDJ-MED-40433386-4
0.474
EDJ-MED-15e90dfc-5
0.474
RAL-THA-e002e396-13
0.474
MAT-POS-f9802937-4
0.473
MAT-POS-5d65ec79-1
0.473
MAT-POS-f9802937-3
0.473
MAT-POS-45b13633-5
0.473
EDJ-MED-28ec730d-2
0.473
EDJ-MED-d203f206-42
0.472
MAT-POS-2905de8c-1
0.472
MAT-POS-3b97339c-2
0.472
EDG-MED-971238d3-4
0.472
EDG-MED-971238d3-11
0.472
EDJ-MED-fcba3f31-6
0.472
BEN-DND-f2e727cd-2
0.471
EDJ-MED-15e90dfc-1
0.471
EDJ-MED-f893e2a1-1
0.471
MAT-POS-e6dd326d-14
0.471
EDJ-MED-fcba3f31-4
0.470
EDJ-MED-40433386-10
0.470
MAT-POS-e6dd326d-11
0.469
RAL-THA-e002e396-5
0.469
ALP-POS-477dc5b7-3
0.469
RAL-THA-eb6cb89c-2
0.467
BEN-DND-a7517465-4
0.467
MAT-POS-c74bc7b3-2
0.467
EDJ-MED-fcba3f31-10
0.467
MAT-POS-2905de8c-3
0.467